#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o3b n THR 2 N 0.00 0.00 -1.38 0.44 -2.24 -1.26 -4.88 114.28 104.96 2o3b n THR 2 Ca 0.00 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 2o3b n THR 2 Cb 0.00 0.57 0.11 0.00 -2.10 0.00 0.00 70.33 68.91 2o3b n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2o3b s LYS 3 N 0.00 1.82 0.80 -0.78 1.02 -1.26 -5.04 119.74 116.30 2o3b s LYS 3 Ca 0.00 0.79 -0.10 0.00 0.02 0.00 0.00 55.97 56.68 2o3b s LYS 3 Cb 0.00 -1.88 0.11 0.00 -0.52 0.00 0.00 37.83 35.54 2o3b s LYS 3 CO 0.00 -1.84 1.13 -0.08 -0.92 0.00 0.00 175.35 173.64 2o3b s THR 4 N -3.03 2.12 0.21 2.17 -1.32 -1.26 -4.61 115.64 109.92 2o3b s THR 4 Ca 0.62 -0.17 -0.10 0.00 -1.21 0.00 0.00 61.69 60.83 2o3b s THR 4 Cb -0.16 -2.95 0.16 0.00 -1.51 0.00 0.00 72.50 68.04 2o3b s THR 4 CO 0.56 0.00 1.87 0.78 -2.21 0.00 0.00 174.62 175.62 2o3b h ASN 5 N -0.97 0.91 -0.65 8.08 -0.26 -1.99 -1.73 115.58 118.97 2o3b h ASN 5 Ca -0.44 -0.04 -0.03 0.00 -0.56 0.00 0.00 56.30 55.23 2o3b h ASN 5 Cb 1.29 -0.23 -0.03 0.00 -1.06 0.00 0.00 38.32 38.29 2o3b h ASN 5 CO 0.54 0.68 0.30 0.28 -1.06 0.00 0.00 177.43 178.17 2o3b h SER 6 N 1.06 0.88 0.29 5.81 0.02 -1.98 0.78 113.55 120.41 2o3b h SER 6 Ca 0.28 -0.11 -0.12 0.00 -0.84 0.00 0.00 61.79 61.01 2o3b h SER 6 Cb -0.09 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.22 2o3b h SER 6 CO -0.06 0.77 -0.47 -0.33 -1.14 0.00 0.00 176.83 175.60 2o3b h GLU 7 N 0.96 0.21 -0.00 3.45 5.08 -1.81 -1.97 114.58 120.49 2o3b h GLU 7 Ca 0.23 -0.11 -0.24 0.00 -1.00 0.00 0.00 59.36 58.24 2o3b h GLU 7 Cb 0.14 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.41 2o3b h GLU 7 CO -0.03 0.64 -0.95 0.82 -1.00 0.00 0.00 179.01 178.49 2o3b h ILE 8 N 0.17 1.31 0.00 3.13 2.04 -0.71 -2.54 117.51 120.91 2o3b h ILE 8 Ca 0.01 -2.21 -0.03 0.00 1.00 0.00 0.00 64.86 63.63 2o3b h ILE 8 Cb 0.89 2.42 -0.00 0.00 -0.74 0.00 0.00 36.82 39.39 2o3b h ILE 8 CO 0.07 0.68 -0.13 -0.07 0.00 0.00 0.00 178.15 178.70 2o3b h LEU 9 N 0.30 0.00 0.11 1.44 3.38 -0.80 -1.94 115.31 117.81 2o3b h LEU 9 Ca -0.12 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.65 2o3b h LEU 9 Cb 1.62 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.39 2o3b h LEU 9 CO 0.19 0.13 -0.87 -0.33 0.09 0.00 0.00 178.44 177.65 2o3b h GLU 10 N 0.00 0.39 -0.66 1.13 4.39 -1.32 -2.71 114.58 115.80 2o3b h GLU 10 Ca -0.00 -0.57 -0.07 0.00 0.34 0.00 0.00 59.36 59.06 2o3b h GLU 10 Cb 0.55 0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 29.37 2o3b h GLU 10 CO 0.02 1.24 0.15 1.96 -1.16 0.00 0.00 179.01 181.22 2o3b h GLN 11 N -0.18 1.06 -0.65 2.33 4.20 -1.28 -1.33 115.11 119.25 2o3b h GLN 11 Ca -0.14 -0.25 -0.06 0.00 0.06 0.00 0.00 58.65 58.26 2o3b h GLN 11 Cb 1.64 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 29.25 2o3b h GLN 11 CO 0.17 0.94 0.15 -0.07 -0.67 0.00 0.00 178.83 179.35 2o3b h LEU 12 N 1.00 0.97 0.31 1.46 3.38 -1.44 -0.86 115.31 120.13 2o3b h LEU 12 Ca 0.21 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2o3b h LEU 12 Cb 0.37 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2o3b h LEU 12 CO 0.00 0.94 -0.15 0.50 0.09 0.00 0.00 178.44 179.82 2o3b h LYS 13 N 0.98 -0.40 0.00 1.13 3.64 -1.12 -1.85 116.57 118.95 2o3b h LYS 13 Ca 0.21 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 2o3b h LYS 13 Cb 0.35 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2o3b h LYS 13 CO 0.00 -0.12 -0.06 1.96 -2.27 0.00 0.00 179.45 178.96 2o3b h GLN 14 N -0.66 0.00 0.00 1.90 4.20 -1.18 0.15 115.11 119.52 2o3b h GLN 14 Ca -0.04 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2o3b h GLN 14 Cb 0.46 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.24 2o3b h GLN 14 CO 0.07 0.06 -0.61 0.00 -0.67 0.00 0.00 178.83 177.68 2o3b h ALA 15 N 1.94 0.70 0.00 3.87 0.00 -1.03 -3.36 119.26 121.38 2o3b h ALA 15 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2o3b h ALA 15 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2o3b h ALA 15 CO 0.01 0.03 -0.64 -1.13 0.00 0.00 0.00 179.25 177.52 2o3b n SER 16 N -2.86 0.85 -4.71 0.00 3.41 -0.71 -4.58 113.62 105.03 2o3b n SER 16 Ca 0.01 -0.60 -0.43 0.00 -0.26 0.00 0.00 58.87 57.59 2o3b n SER 16 Cb 0.55 1.08 -0.02 0.00 -0.26 0.00 0.00 64.21 65.56 2o3b n SER 16 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2o3b n ASP 17 N -1.34 3.41 0.00 4.04 8.00 0.46 -1.40 116.55 129.71 2o3b n ASP 17 Ca 0.01 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.64 2o3b n ASP 17 Cb 0.17 -1.51 0.00 0.00 -0.02 0.00 0.00 41.12 39.76 2o3b n ASP 17 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2o3b n GLY 18 N 2.53 1.93 3.81 0.44 0.00 -1.26 -5.00 105.19 107.64 2o3b n GLY 18 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 2o3b n GLY 18 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2o3b s LEU 19 N 0.00 4.53 -0.09 0.99 2.96 -0.50 -5.08 118.68 121.50 2o3b s LEU 19 Ca 0.00 1.28 0.03 0.00 -0.22 0.00 0.00 54.13 55.22 2o3b s LEU 19 Cb 0.00 -2.92 0.01 0.00 0.50 0.00 0.00 46.19 43.78 2o3b s LEU 19 CO 0.00 0.27 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.36 2o3b s LEU 20 N -1.11 1.86 -0.07 -0.68 1.43 -1.26 -4.19 118.68 114.65 2o3b s LEU 20 Ca 0.29 -0.43 -0.27 0.00 -1.03 0.00 0.00 54.13 52.69 2o3b s LEU 20 Cb -0.20 -1.12 -0.03 0.00 0.03 0.00 0.00 46.19 44.87 2o3b s LEU 20 CO 0.19 0.09 0.87 0.12 0.23 0.00 0.00 176.35 177.85 2o3b s PHE 21 N 0.58 3.56 -0.01 0.29 5.36 0.35 -4.84 117.98 123.27 2o3b s PHE 21 Ca -0.15 1.46 -0.06 0.00 -0.96 0.00 0.00 56.93 57.21 2o3b s PHE 21 Cb -0.17 -3.02 -0.05 0.00 -0.34 0.00 0.00 43.02 39.45 2o3b s PHE 21 CO 0.05 -0.07 0.25 -1.64 -1.46 0.00 0.00 175.22 172.35 2o3b s MET 22 N 1.38 3.56 0.00 10.12 -1.94 -1.26 -2.17 119.30 128.99 2o3b s MET 22 Ca 0.44 -0.09 0.00 0.00 -1.71 0.00 0.00 55.69 54.33 2o3b s MET 22 Cb -0.19 -3.10 0.00 0.00 2.01 0.00 0.00 34.83 33.56 2o3b s MET 22 CO 0.20 0.67 0.00 -1.13 -0.01 0.00 0.00 175.02 174.75 2o3b n SER 23 N 1.21 3.07 0.24 3.03 3.41 -1.26 -4.94 113.62 118.38 2o3b n SER 23 Ca -0.12 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.62 2o3b n SER 23 Cb 0.53 0.00 0.50 0.00 -0.26 0.00 0.00 64.21 64.98 2o3b n SER 23 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2o3b h GLU 24 N 0.00 0.00 0.00 4.33 5.08 -1.89 -3.45 114.58 118.65 2o3b h GLU 24 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2o3b h GLU 24 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2o3b h GLU 24 CO 0.00 0.13 0.00 0.45 -1.00 0.00 0.00 179.01 178.59 2o3b n SER 25 N -3.25 1.31 -3.81 1.42 2.88 -1.26 -5.04 113.62 105.87 2o3b n SER 25 Ca 0.01 -0.79 -0.14 0.00 -1.33 0.00 0.00 58.87 56.62 2o3b n SER 25 Cb 0.40 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.71 2o3b n SER 25 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2o3b s GLU 26 N -1.38 -0.02 0.06 -1.46 -1.05 -1.26 -4.43 118.70 109.17 2o3b s GLU 26 Ca 0.00 0.12 0.01 0.00 -0.15 0.00 0.00 54.97 54.95 2o3b s GLU 26 Cb 0.00 -0.14 -0.03 0.00 -0.44 0.00 0.00 34.13 33.52 2o3b s GLU 26 CO 0.00 -0.10 -0.06 0.71 0.95 0.00 0.00 175.26 176.76 2o3b s TYR 27 N 0.62 0.69 0.96 4.83 1.51 -0.92 -4.94 117.35 120.10 2o3b s TYR 27 Ca -0.05 -0.76 -0.15 0.00 -1.01 0.00 0.00 57.07 55.09 2o3b s TYR 27 Cb -0.07 -0.42 0.20 0.00 -0.11 0.00 0.00 41.96 41.55 2o3b s TYR 27 CO -0.02 -0.17 1.31 -2.14 -1.11 0.00 0.00 175.55 173.43 2o3b s PRO 28 N -2.86 0.64 0.15 -1.71 0.02 -1.26 -0.49 135.00 129.47 2o3b s PRO 28 Ca 0.01 -0.47 0.06 0.00 0.02 0.00 0.00 61.00 60.61 2o3b s PRO 28 Cb -0.01 -1.87 -0.04 0.00 0.02 0.00 0.00 34.50 32.61 2o3b s PRO 28 CO -0.04 -2.40 0.06 -0.06 -0.33 0.00 0.00 177.00 174.23 2o3b s PHE 29 N -3.87 3.01 -0.11 6.54 0.08 -1.26 -4.53 117.98 117.85 2o3b s PHE 29 Ca 0.74 -0.05 0.01 0.00 0.12 0.00 0.00 56.93 57.75 2o3b s PHE 29 Cb -0.04 -1.48 0.02 0.00 -0.57 0.00 0.00 43.02 40.95 2o3b s PHE 29 CO 0.53 0.51 -0.13 -1.21 -0.10 0.00 0.00 175.22 174.81 2o3b s GLU 30 N -2.83 2.06 0.15 0.44 2.02 0.16 -4.92 118.70 115.78 2o3b s GLU 30 Ca 0.28 -0.49 -0.28 0.00 0.02 0.00 0.00 54.97 54.51 2o3b s GLU 30 Cb -0.10 -1.82 -0.07 0.00 0.10 0.00 0.00 34.13 32.24 2o3b s GLU 30 CO 0.21 -0.12 0.86 0.08 0.02 0.00 0.00 175.26 176.31 2o3b s VAL 31 N 1.15 4.38 0.14 2.63 1.01 -1.26 -1.03 120.40 127.42 2o3b s VAL 31 Ca -0.04 1.89 -0.03 0.00 0.00 0.00 0.00 61.98 63.80 2o3b s VAL 31 Cb -0.14 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 2o3b s VAL 31 CO -0.04 0.44 0.11 0.72 0.00 0.00 0.00 175.10 176.33 2o3b s PHE 32 N -0.68 0.73 -0.30 5.22 -0.12 0.19 -4.98 117.98 118.04 2o3b s PHE 32 Ca 0.40 -1.11 -0.03 0.00 -0.05 0.00 0.00 56.93 56.14 2o3b s PHE 32 Cb -0.23 -0.37 0.18 0.00 -0.63 0.00 0.00 43.02 41.97 2o3b s PHE 32 CO 0.28 -0.57 0.65 -1.17 -0.05 0.00 0.00 175.22 174.37 2o3b s LEU 33 N -3.02 -1.27 -0.47 -1.99 0.20 -1.26 -1.79 118.68 109.07 2o3b s LEU 33 Ca 0.22 0.91 -0.29 0.00 0.69 0.00 0.00 54.13 55.66 2o3b s LEU 33 Cb 0.06 2.11 0.03 0.00 -0.43 0.00 0.00 46.19 47.97 2o3b s LEU 33 CO 0.01 -0.24 1.12 0.26 -0.29 0.00 0.00 176.35 177.21 2o3b s TRP 34 N 2.87 2.84 -0.06 5.38 0.51 -0.51 -4.97 118.94 125.00 2o3b s TRP 34 Ca 0.16 0.71 -0.35 0.00 -2.12 0.00 0.00 56.10 54.49 2o3b s TRP 34 Cb -0.14 -4.36 -0.13 0.00 -0.81 0.00 0.00 33.47 28.02 2o3b s TRP 34 CO -0.20 -1.23 1.75 0.39 -0.51 0.00 0.00 176.95 177.15 2o3b n GLU 35 N 7.74 1.91 -3.24 4.98 -0.58 -1.26 -3.22 120.64 126.97 2o3b n GLU 35 Ca 0.11 0.70 -0.12 0.00 -0.42 0.00 0.00 57.16 57.43 2o3b n GLU 35 Cb 0.49 -2.48 0.01 0.00 -0.57 0.00 0.00 31.44 28.88 2o3b n GLU 35 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2o3b n GLY 36 N 4.01 -1.12 3.19 0.62 0.00 -1.26 -5.01 105.19 105.62 2o3b n GLY 36 Ca 0.22 0.75 -0.30 0.00 0.00 0.00 0.00 46.02 46.69 2o3b n GLY 36 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2o3b s SER 37 N -2.75 2.75 0.03 1.61 1.04 -1.20 -5.08 113.70 110.11 2o3b s SER 37 Ca 0.10 -0.48 -0.30 0.00 0.48 0.00 0.00 55.95 55.75 2o3b s SER 37 Cb -0.02 -1.06 -0.08 0.00 0.10 0.00 0.00 66.02 64.95 2o3b s SER 37 CO 0.80 0.16 1.85 0.00 0.98 0.00 0.00 173.24 177.03 2o3b s ALA 38 N 0.22 3.63 0.33 5.32 0.00 -1.26 -4.31 121.76 125.69 2o3b s ALA 38 Ca -0.12 1.24 0.11 0.00 0.00 0.00 0.00 51.96 53.19 2o3b s ALA 38 Cb -0.16 -3.80 0.99 0.00 0.00 0.00 0.00 23.12 20.15 2o3b s ALA 38 CO 0.06 -1.44 1.65 -1.35 0.00 0.00 0.00 175.76 174.68 2o3b h PRO 39 N 9.85 0.26 -5.59 0.00 0.11 -1.94 -3.34 132.00 131.34 2o3b h PRO 39 Ca -0.46 -0.02 -0.23 0.00 0.11 0.00 0.00 66.00 65.40 2o3b h PRO 39 Cb 1.22 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 2o3b h PRO 39 CO 0.94 0.17 0.61 -2.14 -0.21 0.00 0.00 178.00 177.38 2o3b s PRO 40 N -5.74 2.31 -0.40 1.05 0.02 -1.26 -4.91 135.00 126.07 2o3b s PRO 40 Ca -0.11 -0.25 -0.31 0.00 0.02 0.00 0.00 61.00 60.35 2o3b s PRO 40 Cb 0.29 -5.03 -0.09 0.00 0.02 0.00 0.00 34.50 29.69 2o3b s PRO 40 CO 0.78 -3.75 2.30 0.28 -0.33 0.00 0.00 177.00 176.28 2o3b n VAL 41 N 8.09 0.15 -4.30 3.83 0.31 -1.26 -4.96 118.33 120.20 2o3b n VAL 41 Ca 0.42 -0.43 -0.34 0.00 -0.01 0.00 0.00 64.34 63.98 2o3b n VAL 41 Cb 0.46 -2.09 -0.09 0.00 -0.91 0.00 0.00 33.84 31.21 2o3b n VAL 41 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2o3b s THR 42 N 8.93 4.38 0.63 2.52 -4.23 -1.26 -4.98 115.64 121.63 2o3b s THR 42 Ca 1.07 -0.34 0.30 0.00 -1.18 0.00 0.00 61.69 61.54 2o3b s THR 42 Cb -0.58 -2.89 0.34 0.00 1.34 0.00 0.00 72.50 70.71 2o3b s THR 42 CO 0.40 0.51 1.98 1.12 -0.54 0.00 0.00 174.62 178.09 2o3b h HIS 43 N 4.80 0.00 -0.29 3.99 2.07 -1.99 0.78 115.15 124.51 2o3b h HIS 43 Ca -0.50 0.00 -0.13 0.00 -2.85 0.00 0.00 60.37 56.89 2o3b h HIS 43 Cb 1.19 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.16 2o3b h HIS 43 CO 0.63 0.00 -0.36 0.93 -3.07 0.00 0.00 177.93 176.07 2o3b h GLU 44 N 0.00 0.64 -0.16 5.12 3.07 -1.99 -1.87 114.58 119.39 2o3b h GLU 44 Ca 0.07 -0.31 -0.05 0.00 -0.50 0.00 0.00 59.36 58.57 2o3b h GLU 44 Cb 0.71 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.61 2o3b h GLU 44 CO -0.00 0.90 -0.11 0.82 -1.40 0.00 0.00 179.01 179.22 2o3b h ILE 45 N 0.54 1.33 -0.19 3.13 2.04 0.17 -1.54 117.51 122.98 2o3b h ILE 45 Ca 0.05 -1.22 0.04 0.00 1.00 0.00 0.00 64.86 64.73 2o3b h ILE 45 Cb 0.86 1.79 -0.04 0.00 -0.74 0.00 0.00 36.82 38.69 2o3b h ILE 45 CO 0.07 0.36 -0.07 0.58 0.00 0.00 0.00 178.15 179.10 2o3b h VAL 46 N 0.01 0.76 -0.70 1.67 2.07 -1.28 0.28 116.25 119.06 2o3b h VAL 46 Ca 0.03 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 2o3b h VAL 46 Cb 0.62 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 2o3b h VAL 46 CO 0.03 0.00 0.26 -0.07 0.02 0.00 0.00 177.57 177.82 2o3b h LEU 47 N -0.03 0.96 -0.11 2.57 3.38 -1.36 -1.47 115.31 119.25 2o3b h LEU 47 Ca 0.10 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2o3b h LEU 47 Cb 0.18 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 2o3b h LEU 47 CO -0.22 0.87 -0.01 1.56 0.09 0.00 0.00 178.44 180.73 2o3b h GLN 48 N 1.02 0.20 0.00 1.13 4.20 -0.52 0.40 115.11 121.54 2o3b h GLN 48 Ca 0.23 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.88 2o3b h GLN 48 Cb 0.22 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.98 2o3b h GLN 48 CO -0.02 0.46 0.00 1.96 -0.67 0.00 0.00 178.83 180.57 2o3b h GLN 49 N -0.09 0.00 0.00 1.46 1.08 -0.36 -3.21 115.11 113.99 2o3b h GLN 49 Ca 0.03 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.16 2o3b h GLN 49 Cb 0.38 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.80 2o3b h GLN 49 CO 0.01 0.00 -1.70 0.25 -0.95 0.00 0.00 178.83 176.44 2o3b n THR 50 N -2.56 0.26 -2.35 -0.54 -2.24 -0.56 -5.03 114.28 101.26 2o3b n THR 50 Ca 0.03 -0.38 -0.04 0.00 -2.27 0.00 0.00 64.05 61.38 2o3b n THR 50 Cb 0.32 -0.06 0.02 0.00 -2.10 0.00 0.00 70.33 68.51 2o3b n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2o3b n GLY 51 N 1.87 0.24 3.52 3.38 0.00 0.14 -5.04 105.19 109.29 2o3b n GLY 51 Ca -0.08 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 2o3b n GLY 51 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2o3b s HIS 52 N -3.09 2.60 0.08 1.61 3.76 -0.93 -5.06 115.29 114.25 2o3b s HIS 52 Ca 0.01 -0.23 -0.18 0.00 -0.15 0.00 0.00 55.06 54.51 2o3b s HIS 52 Cb -0.00 -1.36 -0.07 0.00 1.11 0.00 0.00 32.58 32.26 2o3b s HIS 52 CO 0.19 0.41 0.54 0.20 -0.85 0.00 0.00 174.74 175.24 2o3b s GLY 53 N -2.25 2.60 0.21 -2.22 0.00 -1.26 -4.51 107.32 99.89 2o3b s GLY 53 Ca 0.20 -0.04 0.06 0.00 0.00 0.00 0.00 44.72 44.94 2o3b s GLY 53 CO 0.12 0.35 0.99 -1.06 0.00 0.00 0.00 173.10 173.50 2o3b n GLN 54 N 1.53 -0.05 -1.05 2.90 6.02 -1.26 0.11 117.38 125.58 2o3b n GLN 54 Ca -0.10 0.92 -0.15 0.00 -0.01 0.00 0.00 57.00 57.66 2o3b n GLN 54 Cb 0.51 -1.53 -0.08 0.00 1.02 0.00 0.00 30.24 30.17 2o3b n GLN 54 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 2o3b n ASP 55 N -4.68 5.82 -4.24 1.08 5.68 -1.26 -4.90 116.55 114.05 2o3b n ASP 55 Ca 0.18 -2.78 -0.23 0.00 -0.50 0.00 0.00 54.79 51.47 2o3b n ASP 55 Cb 0.61 -1.26 -0.13 0.00 -1.14 0.00 0.00 41.12 39.20 2o3b n ASP 55 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2o3b s ALA 56 N -0.42 1.62 0.12 2.12 0.00 0.29 -5.07 121.76 120.42 2o3b s ALA 56 Ca 0.48 -1.11 -0.34 0.00 0.00 0.00 0.00 51.96 50.99 2o3b s ALA 56 Cb 0.27 -0.24 -0.17 0.00 0.00 0.00 0.00 23.12 22.98 2o3b s ALA 56 CO -0.07 0.32 1.01 -2.30 0.00 0.00 0.00 175.76 174.72 2o3b n PRO 57 N 1.40 0.56 -4.19 0.00 -0.02 -1.26 -4.80 135.00 126.69 2o3b n PRO 57 Ca -0.19 0.20 -0.18 0.00 -2.02 0.00 0.00 63.50 61.31 2o3b n PRO 57 Cb 0.54 -1.60 -0.15 0.00 -0.02 0.00 0.00 33.50 32.26 2o3b n PRO 57 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2o3b s PHE 58 N -0.28 0.64 -0.18 6.00 5.36 -1.26 -2.26 117.98 125.99 2o3b s PHE 58 Ca 0.77 -0.14 -0.12 0.00 -0.96 0.00 0.00 56.93 56.48 2o3b s PHE 58 Cb -1.00 -0.50 0.06 0.00 -0.34 0.00 0.00 43.02 41.24 2o3b s PHE 58 CO 0.54 -0.09 0.46 0.21 -1.46 0.00 0.00 175.22 174.88 2o3b s LYS 59 N 0.37 0.47 -0.11 10.12 2.47 -0.91 -5.02 119.74 127.12 2o3b s LYS 59 Ca -0.05 0.79 0.00 0.00 -1.56 0.00 0.00 55.97 55.16 2o3b s LYS 59 Cb -0.08 0.08 -0.02 0.00 -1.46 0.00 0.00 37.83 36.35 2o3b s LYS 59 CO -0.00 -0.13 -0.11 0.08 0.16 0.00 0.00 175.35 175.35 2o3b s VAL 60 N 1.06 3.23 0.06 4.02 1.01 -1.26 -0.83 120.40 127.68 2o3b s VAL 60 Ca -0.07 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.32 2o3b s VAL 60 Cb -0.06 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 2o3b s VAL 60 CO -0.09 0.54 -0.07 0.68 0.00 0.00 0.00 175.10 176.16 2o3b s VAL 61 N 0.06 0.53 0.37 2.92 -7.23 -0.77 -5.03 120.40 111.24 2o3b s VAL 61 Ca -0.04 -1.32 -0.25 0.00 -1.81 0.00 0.00 61.98 58.56 2o3b s VAL 61 Cb -0.14 -0.90 -0.09 0.00 0.56 0.00 0.00 36.38 35.80 2o3b s VAL 61 CO 0.04 -0.55 1.02 1.51 -0.31 0.00 0.00 175.10 176.81 2o3b s ASP 62 N -2.01 6.99 0.30 4.85 -4.77 -1.26 -2.02 116.67 118.75 2o3b s ASP 62 Ca -0.04 1.98 0.05 0.00 -3.30 0.00 0.00 52.55 51.24 2o3b s ASP 62 Cb -0.05 -2.59 0.76 0.00 -1.09 0.00 0.00 42.92 39.95 2o3b s ASP 62 CO -0.02 -0.32 1.71 -0.29 0.70 0.00 0.00 175.17 176.96 2o3b h ILE 63 N 2.40 0.52 -0.55 2.11 2.10 -1.91 -1.99 117.51 120.20 2o3b h ILE 63 Ca -0.48 -0.17 -0.02 0.00 1.08 0.00 0.00 64.86 65.28 2o3b h ILE 63 Cb 1.21 -0.00 -0.03 0.00 -1.09 0.00 0.00 36.82 36.91 2o3b h ILE 63 CO 0.63 0.09 0.27 0.44 -1.08 0.00 0.00 178.15 178.50 2o3b h ASP 64 N 0.49 0.72 -0.61 2.19 3.32 -1.96 -1.92 116.42 118.65 2o3b h ASP 64 Ca 0.58 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 57.44 2o3b h ASP 64 Cb 1.07 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.40 2o3b h ASP 64 CO -0.49 0.65 0.16 0.28 -1.72 0.00 0.00 179.24 178.11 2o3b h SER 65 N 0.75 0.95 -0.09 6.45 0.02 -1.76 -1.20 113.55 118.66 2o3b h SER 65 Ca 0.19 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2o3b h SER 65 Cb 0.12 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.40 2o3b h SER 65 CO -0.02 0.92 0.02 0.15 -1.14 0.00 0.00 176.83 176.75 2o3b h PHE 66 N 0.96 0.16 -0.29 3.45 3.57 -1.20 -2.96 116.94 120.63 2o3b h PHE 66 Ca 0.20 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.68 2o3b h PHE 66 Cb 0.34 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.04 2o3b h PHE 66 CO 0.02 0.34 0.00 1.19 -2.23 0.00 0.00 178.31 177.63 2o3b n PHE 67 N -4.87 0.49 0.20 0.41 3.72 -0.74 -4.44 117.46 112.22 2o3b n PHE 67 Ca -0.06 -0.22 -0.15 0.00 -0.05 0.00 0.00 57.45 56.97 2o3b n PHE 67 Cb 0.16 -0.05 -0.07 0.00 -0.94 0.00 0.00 39.48 38.58 2o3b n PHE 67 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2o3b h SER 68 N 1.76 -0.88 -0.56 4.37 0.87 -1.04 -0.71 113.55 117.36 2o3b h SER 68 Ca 0.00 0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.60 2o3b h SER 68 Cb 0.53 0.30 -0.03 0.00 -0.44 0.00 0.00 62.40 62.77 2o3b h SER 68 CO 0.04 -0.46 0.22 0.03 -0.53 0.00 0.00 176.83 176.13 2o3b h ARG 69 N -0.67 0.87 0.00 2.24 2.47 -1.81 -1.57 114.38 115.92 2o3b h ARG 69 Ca -0.01 -0.14 -0.07 0.00 -1.26 0.00 0.00 59.98 58.49 2o3b h ARG 69 Cb 0.62 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.78 2o3b h ARG 69 CO -0.07 0.73 -0.34 0.00 0.56 0.00 0.00 179.97 180.85 2o3b h ALA 70 N 1.38 1.28 -0.14 0.04 0.00 -1.76 -3.23 119.26 116.83 2o3b h ALA 70 Ca 0.20 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2o3b h ALA 70 Cb 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2o3b h ALA 70 CO -0.02 0.42 0.00 0.25 0.00 0.00 0.00 179.25 179.91 2o3b n THR 71 N -3.90 0.37 -3.60 0.00 -2.24 -0.30 -4.42 114.28 100.18 2o3b n THR 71 Ca -0.02 -0.69 -0.40 0.00 -2.27 0.00 0.00 64.05 60.68 2o3b n THR 71 Cb 0.40 0.96 -0.11 0.00 -2.10 0.00 0.00 70.33 69.48 2o3b n THR 71 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2o3b s THR 72 N -0.96 4.74 0.62 4.28 2.01 -0.61 -4.93 115.64 120.80 2o3b s THR 72 Ca 0.17 -0.57 -0.17 0.00 0.31 0.00 0.00 61.69 61.43 2o3b s THR 72 Cb 0.10 -3.52 -0.02 0.00 0.01 0.00 0.00 72.50 69.07 2o3b s THR 72 CO 0.15 -0.08 1.17 -2.16 -0.69 0.00 0.00 174.62 173.00 2o3b s PRO 73 N 1.61 2.87 0.17 4.92 0.04 -1.26 -4.93 135.00 138.42 2o3b s PRO 73 Ca 0.04 1.67 0.07 0.00 0.04 0.00 0.00 61.00 62.82 2o3b s PRO 73 Cb -0.18 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 2o3b s PRO 73 CO 0.07 -1.25 -0.14 -0.65 0.04 0.00 0.00 177.00 175.07 2o3b s GLN 74 N -3.59 1.21 0.48 4.56 -0.21 -1.26 -5.05 119.66 115.80 2o3b s GLN 74 Ca 0.74 -1.47 0.18 0.00 0.02 0.00 0.00 55.36 54.82 2o3b s GLN 74 Cb -0.27 -1.00 1.19 0.00 1.00 0.00 0.00 33.01 33.93 2o3b s GLN 74 CO 0.36 0.17 2.02 0.38 -2.12 0.00 0.00 175.29 176.10 2o3b h ASP 75 N 2.88 0.18 0.19 5.90 3.04 -2.05 -2.20 116.42 124.35 2o3b h ASP 75 Ca -0.39 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.41 2o3b h ASP 75 Cb 1.21 -0.03 0.00 0.00 -1.04 0.00 0.00 39.33 39.46 2o3b h ASP 75 CO 0.59 0.11 -0.16 -2.67 -2.04 0.00 0.00 179.24 175.07 2o3b n TRP 76 N -4.45 0.00 -2.12 4.15 4.27 -1.26 -4.94 117.44 113.09 2o3b n TRP 76 Ca 0.07 0.00 -0.39 0.00 -3.89 0.00 0.00 57.50 53.29 2o3b n TRP 76 Cb 0.38 -0.10 -0.01 0.00 -1.36 0.00 0.00 31.31 30.23 2o3b n TRP 76 CO 0.00 0.00 0.00 0.71 -2.29 0.00 0.00 177.69 176.11 2o3b s TYR 77 N -2.35 2.88 0.00 -2.67 2.02 -0.83 -5.05 117.35 111.35 2o3b s TYR 77 Ca 0.29 1.46 0.00 0.00 -0.37 0.00 0.00 57.07 58.45 2o3b s TYR 77 Cb 0.20 -3.58 0.00 0.00 -0.40 0.00 0.00 41.96 38.18 2o3b s TYR 77 CO 0.46 -1.87 0.00 0.39 -1.57 0.00 0.00 175.55 172.96 2o3b n GLU 78 N 0.06 3.48 -0.12 -0.62 -0.58 -1.26 -4.90 120.64 116.69 2o3b n GLU 78 Ca 0.04 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.74 2o3b n GLU 78 Cb 0.45 0.00 0.02 0.00 -0.57 0.00 0.00 31.44 31.34 2o3b n GLU 78 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2o3b h ASP 79 N 0.00 -0.22 -0.09 1.62 3.32 -1.98 0.28 116.42 119.36 2o3b h ASP 79 Ca 0.00 0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.18 2o3b h ASP 79 Cb 0.00 0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.69 2o3b h ASP 79 CO 0.00 -0.07 -0.16 -0.08 -1.72 0.00 0.00 179.24 177.21 2o3b h GLU 80 N 0.08 -0.21 -0.26 3.56 4.81 -2.00 -0.94 114.58 119.60 2o3b h GLU 80 Ca 0.19 0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.31 2o3b h GLU 80 Cb 0.28 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 2o3b h GLU 80 CO -0.34 -0.14 -0.38 0.93 -0.73 0.00 0.00 179.01 178.34 2o3b h GLU 81 N -0.22 0.60 -0.50 1.92 3.07 -1.89 -3.06 114.58 114.50 2o3b h GLU 81 Ca 0.08 -0.30 -0.09 0.00 -0.50 0.00 0.00 59.36 58.56 2o3b h GLU 81 Cb 0.34 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.23 2o3b h GLU 81 CO -0.22 0.89 -0.04 -0.91 -1.40 0.00 0.00 179.01 177.32 2o3b h ASN 82 N 0.50 0.86 -0.55 1.42 2.35 -0.62 -1.67 115.58 117.87 2o3b h ASN 82 Ca 0.05 -0.24 -0.03 0.00 -0.55 0.00 0.00 56.30 55.53 2o3b h ASN 82 Cb 0.88 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.00 2o3b h ASN 82 CO 0.08 0.95 0.22 0.00 -1.65 0.00 0.00 177.43 177.02 2o3b h ALA 83 N 1.14 0.71 -0.34 -0.83 0.00 -1.16 -1.42 119.26 117.36 2o3b h ALA 83 Ca 0.14 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2o3b h ALA 83 Cb 0.54 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2o3b h ALA 83 CO 0.03 0.32 -0.13 0.28 0.00 0.00 0.00 179.25 179.76 2o3b h VAL 84 N 0.74 1.24 -0.33 0.00 2.07 -1.41 -1.88 116.25 116.69 2o3b h VAL 84 Ca 0.18 -1.09 -0.04 0.00 0.82 0.00 0.00 66.70 66.58 2o3b h VAL 84 Cb 0.20 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2o3b h VAL 84 CO -0.01 0.36 0.05 0.58 0.02 0.00 0.00 177.57 178.56 2o3b h VAL 85 N 0.53 1.24 -0.61 2.57 2.07 -0.99 -2.13 116.25 118.94 2o3b h VAL 85 Ca 0.10 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 66.79 2o3b h VAL 85 Cb 0.54 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 2o3b h VAL 85 CO 0.03 0.28 0.39 0.00 0.02 0.00 0.00 177.57 178.29 2o3b h ALA 86 N 0.88 0.77 -0.04 1.67 0.00 -1.01 -0.76 119.26 120.78 2o3b h ALA 86 Ca 0.10 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2o3b h ALA 86 Cb 0.36 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2o3b h ALA 86 CO 0.01 0.17 -0.20 0.87 0.00 0.00 0.00 179.25 180.10 2o3b h LYS 87 N 0.79 0.07 0.11 0.00 1.57 -1.20 -1.43 116.57 116.47 2o3b h LYS 87 Ca 0.23 -0.02 -0.27 0.00 -1.87 0.00 0.00 60.65 58.72 2o3b h LYS 87 Cb -0.06 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.25 2o3b h LYS 87 CO -0.06 0.27 -1.20 0.74 -0.57 0.00 0.00 179.45 178.62 2o3b h PHE 88 N 0.06 0.62 -0.41 -1.35 0.04 -0.75 -1.68 116.94 113.48 2o3b h PHE 88 Ca 0.01 -0.42 -0.08 0.00 2.80 0.00 0.00 57.97 60.29 2o3b h PHE 88 Cb 0.39 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.48 2o3b h PHE 88 CO 0.00 1.30 -0.06 1.96 -0.60 0.00 0.00 178.31 180.91 2o3b h GLN 89 N 0.14 0.69 -0.16 1.51 4.20 -0.84 0.43 115.11 121.07 2o3b h GLN 89 Ca -0.14 -0.20 -0.05 0.00 0.06 0.00 0.00 58.65 58.33 2o3b h GLN 89 Cb 1.89 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 29.60 2o3b h GLN 89 CO 0.21 0.75 -0.08 -0.22 -0.67 0.00 0.00 178.83 178.81 2o3b h LYS 90 N 0.64 0.34 -0.31 1.46 3.64 -1.27 -2.29 116.57 118.77 2o3b h LYS 90 Ca 0.12 -0.15 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 2o3b h LYS 90 Cb 0.49 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 2o3b h LYS 90 CO 0.03 0.66 0.14 1.25 -2.27 0.00 0.00 179.45 179.26 2o3b h LEU 91 N 0.01 0.20 -0.85 5.20 5.85 -0.93 -0.89 115.31 123.91 2o3b h LEU 91 Ca 0.04 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.85 2o3b h LEU 91 Cb 0.56 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.51 2o3b h LEU 91 CO 0.02 0.16 0.52 0.25 -0.34 0.00 0.00 178.44 179.05 2o3b h LEU 92 N 0.30 0.80 0.25 2.25 5.85 -0.90 -1.66 115.31 122.20 2o3b h LEU 92 Ca 0.13 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 2o3b h LEU 92 Cb 0.06 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.95 2o3b h LEU 92 CO -0.10 0.49 -0.12 -0.08 -0.34 0.00 0.00 178.44 178.29 2o3b h GLU 93 N 0.92 -0.33 -0.64 1.25 4.81 -0.77 -1.22 114.58 118.60 2o3b h GLU 93 Ca 0.38 0.02 0.15 0.00 -0.13 0.00 0.00 59.36 59.78 2o3b h GLU 93 Cb 0.23 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 2o3b h GLU 93 CO -0.19 -0.17 0.44 0.28 -0.73 0.00 0.00 179.01 178.64 2o3b h VAL 94 N -0.40 0.77 0.12 0.32 2.07 -0.77 0.06 116.25 118.42 2o3b h VAL 94 Ca -0.03 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 2o3b h VAL 94 Cb 0.31 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2o3b h VAL 94 CO 0.06 0.04 -0.06 0.40 0.02 0.00 0.00 177.57 178.03 2o3b h ILE 95 N 0.21 1.06 0.00 4.57 2.04 -0.77 -2.90 117.51 121.73 2o3b h ILE 95 Ca 0.31 -1.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.05 2o3b h ILE 95 Cb 0.92 1.71 -0.00 0.00 -0.74 0.00 0.00 36.82 38.70 2o3b h ILE 95 CO -0.06 0.25 -0.10 0.11 0.00 0.00 0.00 178.15 178.35 2o3b h LYS 96 N -0.71 0.00 0.14 2.37 1.57 -0.57 0.55 116.57 119.92 2o3b h LYS 96 Ca -0.02 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.47 2o3b h LYS 96 Cb 0.53 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.86 2o3b h LYS 96 CO 0.03 0.10 -1.26 0.77 -0.57 0.00 0.00 179.45 178.52 2o3b h SER 97 N 0.00 0.73 0.00 0.86 0.02 -1.04 -3.39 113.55 110.72 2o3b h SER 97 Ca -0.00 -0.71 -0.35 0.00 -0.84 0.00 0.00 61.79 59.89 2o3b h SER 97 Cb 0.41 -0.23 -0.07 0.00 0.14 0.00 0.00 62.40 62.66 2o3b h SER 97 CO 0.01 1.53 -2.32 0.59 -1.14 0.00 0.00 176.83 175.50 2o3b n ASN 98 N -3.71 0.43 -4.79 3.07 3.02 -1.10 -4.38 115.26 107.81 2o3b n ASN 98 Ca -0.12 -0.01 -0.36 0.00 -0.03 0.00 0.00 54.58 54.05 2o3b n ASN 98 Cb 1.01 0.85 -0.07 0.00 -0.61 0.00 0.00 39.78 40.96 2o3b n ASN 98 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2o3b s LEU 99 N -5.50 4.30 -0.05 3.41 1.43 0.17 -4.46 118.68 117.99 2o3b s LEU 99 Ca -0.12 0.44 -0.15 0.00 -1.03 0.00 0.00 54.13 53.27 2o3b s LEU 99 Cb 0.06 -2.19 -0.05 0.00 0.03 0.00 0.00 46.19 44.03 2o3b s LEU 99 CO 0.77 0.25 0.39 -0.75 0.23 0.00 0.00 176.35 177.23 2o3b s LYS 100 N -0.19 3.99 -0.97 1.70 2.20 0.25 -4.40 119.74 122.32 2o3b s LYS 100 Ca 0.14 0.34 -0.13 0.00 -0.36 0.00 0.00 55.97 55.96 2o3b s LYS 100 Cb -0.12 -3.28 0.02 0.00 -1.51 0.00 0.00 37.83 32.94 2o3b s LYS 100 CO 0.03 0.56 0.63 0.09 -0.36 0.00 0.00 175.35 176.30 2o3b n ASN 101 N 2.33 -4.64 -4.76 1.43 3.02 -1.26 -1.90 115.26 109.48 2o3b n ASN 101 Ca -0.13 -1.08 -0.41 0.00 -0.03 0.00 0.00 54.58 52.93 2o3b n ASN 101 Cb 0.52 -1.72 -0.03 0.00 -0.61 0.00 0.00 39.78 37.94 2o3b n ASN 101 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 2o3b s PRO 102 N -5.81 4.43 0.04 3.52 0.02 -1.26 -4.70 135.00 131.23 2o3b s PRO 102 Ca 0.18 2.09 -0.00 0.00 0.02 0.00 0.00 61.00 63.28 2o3b s PRO 102 Cb -0.10 -3.13 -0.03 0.00 0.02 0.00 0.00 34.50 31.26 2o3b s PRO 102 CO 0.92 -0.12 -0.03 -0.65 -0.33 0.00 0.00 177.00 176.79 2o3b s GLN 103 N -1.29 0.51 -0.10 5.54 -0.21 -0.10 -4.52 119.66 119.49 2o3b s GLN 103 Ca 0.50 -1.00 0.01 0.00 0.02 0.00 0.00 55.36 54.89 2o3b s GLN 103 Cb -0.37 0.14 -0.02 0.00 1.00 0.00 0.00 33.01 33.76 2o3b s GLN 103 CO 0.47 -0.08 -0.15 0.08 -2.12 0.00 0.00 175.29 173.49 2o3b s VAL 104 N -2.99 2.92 -0.17 1.09 1.01 -0.86 -0.53 120.40 120.89 2o3b s VAL 104 Ca -0.01 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.25 2o3b s VAL 104 Cb 0.01 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.21 2o3b s VAL 104 CO -0.06 0.55 -0.18 -0.31 0.00 0.00 0.00 175.10 175.09 2o3b s TYR 105 N 0.04 2.76 -0.31 5.22 2.02 0.56 -1.85 117.35 125.79 2o3b s TYR 105 Ca -0.05 -1.38 -0.09 0.00 -0.37 0.00 0.00 57.07 55.17 2o3b s TYR 105 Cb -0.15 -1.90 -0.00 0.00 -0.40 0.00 0.00 41.96 39.51 2o3b s TYR 105 CO 0.04 -0.67 0.14 1.03 -1.57 0.00 0.00 175.55 174.53 2o3b s ARG 106 N 1.08 3.26 -0.11 -0.62 0.52 -0.01 -0.68 118.95 122.38 2o3b s ARG 106 Ca -0.00 -0.76 0.00 0.00 -0.52 0.00 0.00 55.73 54.45 2o3b s ARG 106 Cb -0.14 -3.54 -0.02 0.00 0.52 0.00 0.00 34.95 31.77 2o3b s ARG 106 CO -0.06 -0.44 -0.12 -0.51 0.02 0.00 0.00 175.30 174.19 2o3b s LEU 107 N 1.59 2.79 0.00 2.53 1.43 -0.27 -2.15 118.68 124.61 2o3b s LEU 107 Ca 0.04 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 2o3b s LEU 107 Cb -0.17 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.43 2o3b s LEU 107 CO 0.06 0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.47 2o3b n GLY 108 N 3.16 -2.47 2.96 -3.19 0.00 -0.96 -1.45 105.19 103.24 2o3b n GLY 108 Ca -0.18 -1.97 -0.12 0.00 0.00 0.00 0.00 46.02 43.75 2o3b n GLY 108 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2o3b s GLU 109 N -0.31 0.29 0.00 1.61 2.02 -1.26 -4.75 118.70 116.30 2o3b s GLU 109 Ca 0.00 -0.38 0.00 0.00 0.02 0.00 0.00 54.97 54.61 2o3b s GLU 109 Cb 0.00 -0.12 0.00 0.00 0.10 0.00 0.00 34.13 34.11 2o3b s GLU 109 CO 0.00 0.02 0.00 0.28 0.02 0.00 0.00 175.26 175.58 2o3b n VAL 110 N 2.28 0.00 -3.56 2.63 0.31 -1.26 -4.48 118.33 114.25 2o3b n VAL 110 Ca -0.18 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.74 2o3b n VAL 110 Cb 0.57 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.42 2o3b n VAL 110 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2o3b s GLU 111 N 0.00 2.62 -0.00 5.55 2.02 -1.26 -0.69 118.70 126.94 2o3b s GLU 111 Ca 0.00 -2.01 -0.00 0.00 0.02 0.00 0.00 54.97 52.98 2o3b s GLU 111 Cb 0.00 -3.94 -0.04 0.00 0.10 0.00 0.00 34.13 30.25 2o3b s GLU 111 CO 0.00 -1.20 0.07 -0.51 0.02 0.00 0.00 175.26 173.64 2o3b s LEU 112 N 0.92 3.83 -0.20 1.80 1.02 0.66 -4.79 118.68 121.91 2o3b s LEU 112 Ca 0.10 0.12 -0.11 0.00 0.02 0.00 0.00 54.13 54.25 2o3b s LEU 112 Cb -0.23 -2.23 -0.05 0.00 0.02 0.00 0.00 46.19 43.70 2o3b s LEU 112 CO -0.02 0.27 0.19 -1.81 0.02 0.00 0.00 176.35 174.99 2o3b s ASP 113 N -1.72 6.25 -0.08 2.29 -0.00 -0.53 -0.53 116.67 122.36 2o3b s ASP 113 Ca 0.22 0.28 0.03 0.00 -0.00 0.00 0.00 52.55 53.08 2o3b s ASP 113 Cb -0.12 -2.12 -0.02 0.00 -0.00 0.00 0.00 42.92 40.66 2o3b s ASP 113 CO 0.13 0.12 -0.15 -0.69 -0.00 0.00 0.00 175.17 174.59 2o3b s VAL 114 N 0.59 2.98 -0.10 -1.27 1.01 0.28 -1.11 120.40 122.77 2o3b s VAL 114 Ca 0.10 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.37 2o3b s VAL 114 Cb -0.12 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.09 2o3b s VAL 114 CO 0.01 0.57 -0.15 -0.31 0.00 0.00 0.00 175.10 175.22 2o3b s TYR 115 N -0.34 1.90 -0.53 5.22 2.02 0.14 -1.20 117.35 124.56 2o3b s TYR 115 Ca 0.03 -0.85 -0.16 0.00 -0.37 0.00 0.00 57.07 55.72 2o3b s TYR 115 Cb -0.13 -1.37 0.11 0.00 -0.40 0.00 0.00 41.96 40.18 2o3b s TYR 115 CO 0.02 -0.43 0.50 0.08 -1.57 0.00 0.00 175.55 174.15 2o3b s VAL 116 N 0.89 5.16 -0.18 0.71 1.01 0.96 -0.32 120.40 128.63 2o3b s VAL 116 Ca -0.09 -1.28 -0.06 0.00 0.00 0.00 0.00 61.98 60.55 2o3b s VAL 116 Cb -0.15 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 2o3b s VAL 116 CO 0.00 -0.82 0.03 -0.63 0.00 0.00 0.00 175.10 173.69 2o3b s ILE 117 N 1.78 4.46 0.27 2.22 1.01 0.31 -2.32 121.20 128.93 2o3b s ILE 117 Ca 0.05 -0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.58 2o3b s ILE 117 Cb -0.27 -3.00 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 2o3b s ILE 117 CO 0.05 0.46 0.20 -0.83 0.00 0.00 0.00 174.94 174.82 2o3b s GLY 118 N 0.51 1.90 -0.12 6.18 0.00 0.06 -0.93 107.32 114.92 2o3b s GLY 118 Ca 0.01 -1.89 -0.01 0.00 0.00 0.00 0.00 44.72 42.84 2o3b s GLY 118 CO 0.01 -1.44 -0.09 1.85 0.00 0.00 0.00 173.10 173.43 2o3b s GLU 119 N -3.80 3.28 0.45 2.90 2.12 -0.80 -1.12 118.70 121.73 2o3b s GLU 119 Ca 0.40 -0.61 -0.11 0.00 0.36 0.00 0.00 54.97 55.01 2o3b s GLU 119 Cb 0.05 -2.69 -0.06 0.00 0.26 0.00 0.00 34.13 31.69 2o3b s GLU 119 CO 0.20 0.34 0.84 0.95 -0.54 0.00 0.00 175.26 177.05 2o3b s THR 120 N 0.04 4.74 -1.27 -1.70 -4.23 0.13 -0.58 115.64 112.77 2o3b s THR 120 Ca -0.03 0.73 0.01 0.00 -1.18 0.00 0.00 61.69 61.22 2o3b s THR 120 Cb -0.14 -3.75 0.01 0.00 1.34 0.00 0.00 72.50 69.96 2o3b s THR 120 CO 0.04 -0.64 0.89 -0.81 -0.54 0.00 0.00 174.62 173.56 2o3b n PRO 121 N -1.56 0.01 0.00 3.99 -0.04 -1.26 -0.30 135.00 135.83 2o3b n PRO 121 Ca 0.03 0.36 0.14 0.00 -0.04 0.00 0.00 63.50 63.99 2o3b n PRO 121 Cb 0.54 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.95 2o3b n PRO 121 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2o3b n ALA 122 N -1.37 2.67 -0.72 0.55 0.00 -1.26 -4.93 120.51 115.45 2o3b n ALA 122 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.98 2o3b n ALA 122 Cb 0.01 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.34 2o3b n ALA 122 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2o3b n GLY 123 N 1.22 0.59 3.61 0.00 0.00 0.59 -5.07 105.19 106.13 2o3b n GLY 123 Ca 0.17 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 45.21 2o3b n GLY 123 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2o3b s ASN 124 N -2.69 4.29 -0.20 1.61 0.01 -1.24 -4.50 114.94 112.22 2o3b s ASN 124 Ca 0.00 -0.80 -0.11 0.00 -0.71 0.00 0.00 52.86 51.24 2o3b s ASN 124 Cb 0.00 -0.67 -0.05 0.00 0.41 0.00 0.00 41.25 40.94 2o3b s ASN 124 CO 0.00 -0.05 0.18 -0.76 -1.51 0.00 0.00 177.10 174.95 2o3b s LEU 125 N -3.66 4.19 0.31 0.60 1.43 -1.26 0.20 118.68 120.49 2o3b s LEU 125 Ca 0.32 0.27 -0.06 0.00 -1.03 0.00 0.00 54.13 53.63 2o3b s LEU 125 Cb -0.05 -2.16 0.00 0.00 0.03 0.00 0.00 46.19 44.01 2o3b s LEU 125 CO 0.19 0.13 0.47 0.00 0.23 0.00 0.00 176.35 177.37 2o3b s ALA 126 N 0.56 0.41 0.00 4.21 0.00 -0.28 -1.42 121.76 125.25 2o3b s ALA 126 Ca 0.10 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 50.76 2o3b s ALA 126 Cb -0.12 1.12 0.00 0.00 0.00 0.00 0.00 23.12 24.12 2o3b s ALA 126 CO 0.01 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.37 2o3b n GLY 127 N -0.49 -0.26 3.36 0.00 0.00 -0.74 -0.76 105.19 106.31 2o3b n GLY 127 Ca -0.00 -1.18 -0.19 0.00 0.00 0.00 0.00 46.02 44.64 2o3b n GLY 127 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2o3b s ILE 128 N -3.18 1.83 0.02 -0.61 -4.36 -0.98 -0.64 121.20 113.28 2o3b s ILE 128 Ca 0.00 -2.22 -0.02 0.00 -0.26 0.00 0.00 60.65 58.15 2o3b s ILE 128 Cb 0.00 -2.06 -0.02 0.00 1.25 0.00 0.00 42.46 41.63 2o3b s ILE 128 CO 0.00 -0.56 0.00 -0.94 0.24 0.00 0.00 174.94 173.68 2o3b s SER 129 N -3.31 0.24 0.01 4.36 1.04 -0.20 -0.03 113.70 115.82 2o3b s SER 129 Ca 0.23 -0.54 -0.00 0.00 0.48 0.00 0.00 55.95 56.12 2o3b s SER 129 Cb -0.01 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.24 2o3b s SER 129 CO 0.08 -0.37 0.02 1.07 0.98 0.00 0.00 173.24 175.01 2o3b n THR 130 N 1.30 0.00 -4.21 2.02 5.66 -0.34 -0.66 114.28 118.04 2o3b n THR 130 Ca -0.22 -0.04 -0.19 0.00 -3.05 0.00 0.00 64.05 60.55 2o3b n THR 130 Cb 0.56 0.03 -0.12 0.00 -1.55 0.00 0.00 70.33 69.25 2o3b n THR 130 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2o3b s LYS 131 N -2.01 0.93 0.01 1.09 1.02 -1.26 -0.56 119.74 118.96 2o3b s LYS 131 Ca 0.01 -1.08 0.03 0.00 0.02 0.00 0.00 55.97 54.95 2o3b s LYS 131 Cb -0.00 -0.95 -0.01 0.00 -0.52 0.00 0.00 37.83 36.35 2o3b s LYS 131 CO 0.00 0.20 -0.08 0.08 -0.92 0.00 0.00 175.35 174.64 2o3b s VAL 132 N -1.51 0.63 -0.16 3.17 1.01 0.32 -4.55 120.40 119.31 2o3b s VAL 132 Ca 0.03 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.49 2o3b s VAL 132 Cb -0.08 -0.57 0.02 0.00 0.00 0.00 0.00 36.38 35.75 2o3b s VAL 132 CO 0.03 0.05 -0.18 -0.69 0.00 0.00 0.00 175.10 174.31 2o3b s VAL 133 N -0.46 1.86 -0.20 2.92 1.01 -1.25 -0.25 120.40 124.02 2o3b s VAL 133 Ca 0.00 -0.82 -0.02 0.00 0.00 0.00 0.00 61.98 61.14 2o3b s VAL 133 Cb -0.05 -1.69 0.06 0.00 0.00 0.00 0.00 36.38 34.70 2o3b s VAL 133 CO 0.00 0.51 0.03 -1.61 0.00 0.00 0.00 175.10 174.03 2o3b s GLU 134 N 1.28 0.76 0.00 2.72 2.02 0.13 -2.51 118.70 123.10 2o3b s GLU 134 Ca 0.03 -0.52 0.03 0.00 0.02 0.00 0.00 54.97 54.53 2o3b s GLU 134 Cb -0.13 -2.16 0.02 0.00 0.10 0.00 0.00 34.13 31.96 2o3b s GLU 134 CO -0.10 -0.66 0.59 0.25 0.02 0.00 0.00 175.26 175.37